Geometry & MOs

Info

ID:	349440
PubChem CID:	127275227
Reduced:	N2O4C23H26 (1)
Stoich.:	A2B4C23D26 (1)
Weight, g/mol:	397.119319
ΔH_f, kcal/mol:	-118.71
Dipole, Da:	4.26
IP(EA), eV:	-8.85(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-2-[[2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CC(N(C1)CC(=O)NC2CCOC3=CC=CC=C23)C4=C5C(=CC=C4)OCCO5

DOS

IR

Vibrations